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Added FCC, BCC, and ICOS examples

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Aidan Thompson
2019-08-25 23:02:41 -06:00
parent f8e3ea2839
commit fb702fa9d6
4 changed files with 227 additions and 26 deletions
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doc/src/compute_orientorder_atom.txt
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@ -19,6 +19,8 @@ keyword = {cutoff} or {nnn} or {degrees} or {components}
{cutoff} value = distance cutoff
{nnn} value = number of nearest neighbors
{degrees} values = nlvalues, l1, l2,...
{wl} value = yes or no
{wl/hat} value = yes or no
{components} value = ldegree :pre
:ule
@ -63,7 +65,7 @@ specified distance cutoff are used.
The optional keyword {degrees} defines the list of order parameters to
be computed. The first argument {nlvalues} is the number of order
parameters. This is followed by that number of integers giving the
parameters. This is followed by that number of non-negative integers giving the
degree of each order parameter. Because {Q}2 and all odd-degree order
parameters are zero for atoms in cubic crystals (see
"Steinhardt"_#Steinhardt), the default order parameters are {Q}4,